ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate

C17H34O4Si — CID 10735215

IUPACethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
SMILESC=CCCC(OCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H34O4Si/c1-8-10-12-15(16(18)19-9-2)20-13-11-14-21-22(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3
InChIKeyVIEMKPJVMBQEDM-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.31
Rot. Bonds11

About ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate

ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate (PubChem CID 10735215) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate.

Molecular Properties

Compound Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
PubChem CID10735215
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
SMILESC=CCCC(OCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C17H34O4Si/c1-8-10-12-15(16(18)19-9-2)20-13-11-14-21-22(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3
InChIKeyVIEMKPJVMBQEDM-UHFFFAOYSA-N
XLogP4.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-tri(propan-2-yl)silyloxyhept-6-enoate
CID 10859994
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
dipropan-2-yl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 101691901
[1-[Tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yloxypropan-2-yl] pentanoate
CID 59083653
[3-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoyloxy]propyl] 2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoate
CID 140863826
Methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 141130143
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
[(4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-en-4-yl] (2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 11342536
dipropan-2-yl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 15259247
diethyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 21626151

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate?
The IUPAC name of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate (CID 10735215) is ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate.
What is the SMILES notation for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate?
The canonical SMILES for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate is C=CCCC(OCCCO[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate?
The InChIKey is VIEMKPJVMBQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-10-12-15(16(18)19-9-2)20-13-11-14-21-22(6,7)17(3,4)5/h8,15H,1,9-14H2,2-7H3.
What are the key properties of ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate?
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate has a molecular weight of 330.54 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate is sourced from PubChem (CID 10735215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).